6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C20H20ClN9O — CID 87585148

IUPAC6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cc(Cl)nc(N3CCCC3c3cc(-c4cnccn4)no3)n2)n[nH]1
InChIInChI=1S/C20H20ClN9O/c1-2-12-8-19(28-27-12)25-18-10-17(21)24-20(26-18)30-7-3-4-15(30)16-9-13(29-31-16)14-11-22-5-6-23-14/h5-6,8-11,15H,2-4,7H2,1H3,(H2,24,25,26,27,28)
InChIKeyGLLDTZSDGKAYBM-UHFFFAOYSA-N
MW437.90 g/mol
LogP3.95
Rot. Bonds6

About 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 87585148) has the molecular formula C20H20ClN9O and a molecular weight of 437.90 g/mol. Its IUPAC name is 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID87585148
Molecular FormulaC20H20ClN9O
Molecular Weight437.90 g/mol
Exact Mass437.15
IUPAC Name6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cc(Cl)nc(N3CCCC3c3cc(-c4cnccn4)no3)n2)n[nH]1
InChIInChI=1S/C20H20ClN9O/c1-2-12-8-19(28-27-12)25-18-10-17(21)24-20(26-18)30-7-3-4-15(30)16-9-13(29-31-16)14-11-22-5-6-23-14/h5-6,8-11,15H,2-4,7H2,1H3,(H2,24,25,26,27,28)
InChIKeyGLLDTZSDGKAYBM-UHFFFAOYSA-N
XLogP3.95
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68813663
6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87748067
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)azetidin-1-yl]pyrimidin-4-amine
CID 11852277
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 11951484
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11315620
6-iodo-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11409698
2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951309
6-(3-aminoprop-1-ynyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68816102
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 68814017
6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 15978940
(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol
CID 68813537
6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 87585148) is 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is CCc1cc(Nc2cc(Cl)nc(N3CCCC3c3cc(-c4cnccn4)no3)n2)n[nH]1.
What is the InChIKey of 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is GLLDTZSDGKAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN9O/c1-2-12-8-19(28-27-12)25-18-10-17(21)24-20(26-18)30-7-3-4-15(30)16-9-13(29-31-16)14-11-22-5-6-23-14/h5-6,8-11,15H,2-4,7H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 437.90 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 87585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).